Information card for entry 7218034

Structure parameters

• Formula: C26 H19 N3
• Calculated formula: C26 H19 N3
• SMILES: c1(ccccc1)N(c1ccccc1)c1ccc(cc1)/C=C(\C#N)c1ccccn1
• Title of publication: The effect of the supramolecular network of (Z)-3-(4-(diphenylamino)phenyl)-2-(pyridin-2-yl)-acrylonitrile on the fluorescence behavior of a single crystal: experimental and theoretical studies
• Authors of publication: Percino, M. Judith; Cerón, Margarita; Soriano-Moro, Guillermo; Castro, M. Eugenia; Chapela, Víctor M.; Bonilla, José; Reyes-Reyes, Marisol; López-Sandoval, Román
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 36
• Pages of publication: 8591
• a: 12.9551 ± 0.0002 Å
• b: 11.293 ± 0.00015 Å
• c: 14.6992 ± 0.0003 Å
• α: 90°
• β: 115.648 ± 0.002°
• γ: 90°
• Cell volume: 1938.63 ± 0.06 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7217013
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No